Detailed information for compound 1337066

Basic information

Technical information
  • TDR Targets ID: 1337066
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1H-quino line-4-carboxamide
  • MW: 322.315 | Formula: C18H14N2O4
  • H donors: 2 H acceptors: 3 LogP: 2.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc2ccccc2c(c1)C(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C18H14N2O4/c21-17-8-13(12-3-1-2-4-14(12)20-17)18(22)19-9-11-5-6-15-16(7-11)24-10-23-15/h1-8H,9-10H2,(H,19,22)(H,20,21)
  • InChiKey: SULRFZPCVDWMPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-keto-1H-quinoline-4-carboxamide
  • T5261207
  • ZINC00218602
  • MLS001033728
  • SMR000385674

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA repair protein RAD51, putative 0.011 0.7222 1
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0075 0.3839 0.5316
Trypanosoma brucei protein kinase, putative 0.0039 0.0428 1
Entamoeba histolytica DNA repair protein RAD51, putative 0.011 0.7222 1
Giardia lamblia DNA helicase 0.0075 0.3839 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0039 0.0428 0.0592
Toxoplasma gondii meiotic recombination protein DMC1 family protein 0.011 0.7222 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0039 0.0428 0.0592
Trichomonas vaginalis meiosis-specific recA homolog Dmc1 0.011 0.7222 1
Giardia lamblia Kinase, CMGC GSK 0.0039 0.0428 0.0916
Mycobacterium leprae Probable Holliday junction DNA helicase component RuvA 0.0075 0.3839 0.5
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.011 0.7222 1
Mycobacterium tuberculosis Probable holliday junction DNA helicase RuvA 0.0075 0.3839 0.5
Onchocerca volvulus 0.0039 0.0428 0.0428
Chlamydia trachomatis excinuclease ABC subunit C 0.0075 0.3839 0.5
Wolbachia endosymbiont of Brugia malayi Holliday junction DNA helicase RuvA 0.0075 0.3839 0.5
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.011 0.7222 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0039 0.0428 1
Echinococcus multilocularis protein kinase shaggy 0.0039 0.0428 0.0592
Onchocerca volvulus Bile acid receptor homolog 0.0139 1 1
Leishmania major RAD51/dmc1 protein 0.011 0.7222 1
Entamoeba histolytica protein kinase domain containing protein 0.0039 0.0428 0.0482
Chlamydia trachomatis exodeoxyribonuclease V subunit alpha 0.0075 0.3839 0.5
Echinococcus granulosus dna repair protein rad51 1 0.011 0.7222 1
Mycobacterium ulcerans excinuclease ABC subunit C 0.0075 0.3839 0.5
Onchocerca volvulus Meiotic recombination protein DMC1\/LIM15 homolog 0.0035 0.0084 0.0084
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0075 0.3839 0.5261
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0075 0.3839 0.5316
Trypanosoma cruzi DNA repair protein RAD51, putative 0.011 0.7222 1
Wolbachia endosymbiont of Brugia malayi transcription elongation factor NusA 0.0075 0.3839 0.5
Brugia malayi Meiotic recombination protein DMC1/LIM15 homolog, putative 0.0035 0.0084 0.0084
Echinococcus multilocularis dna repair protein rad51 1 0.011 0.7222 1
Loa Loa (eye worm) rad51 0.011 0.7222 0.7222
Mycobacterium ulcerans Holliday junction DNA helicase RuvA 0.0075 0.3839 0.5
Chlamydia trachomatis Holliday junction ATP-dependent DNA helicase RuvA 0.0075 0.3839 0.5
Echinococcus granulosus protein kinase shaggy 0.0039 0.0428 0.0592
Brugia malayi DNA repair protein RAD51 homolog 1 0.011 0.7222 0.7222
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0075 0.3839 0.5316
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0039 0.0428 0.0428
Treponema pallidum Holliday junction DNA helicase (ruvA) 0.0075 0.3839 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0039 0.0428 0.0482
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0039 0.0428 0.0428
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0039 0.0428 0.0592
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0039 0.0428 0.0482
Trichomonas vaginalis CMGC family protein kinase 0.0039 0.0428 0.0482
Schistosoma mansoni DNA repair protein RAD51 0.011 0.7222 1
Plasmodium falciparum glycogen synthase kinase 3 0.0039 0.0428 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0039 0.0428 0.0482
Giardia lamblia hypothetical protein 0.0075 0.3839 1
Giardia lamblia Kinase, CMGC GSK 0.0039 0.0428 0.0916
Entamoeba histolytica protein kinase domain containing protein 0.0039 0.0428 0.0482
Loa Loa (eye worm) meiotic recombination protein DMC1/LIM15 0.0035 0.0084 0.0084
Brugia malayi intracellular kinase 0.0039 0.0428 0.0428
Entamoeba histolytica protein kinase, putative 0.0039 0.0428 0.0482
Chlamydia trachomatis DNA ligase 0.0075 0.3839 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 1 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) > 35 uM PUBCHEM_BIOASSAY: MITF: Counter assay: A375 proliferation Measured in Cell-Based System Using Plate Reader - 2084-03_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
AC50 (functional) > 35 uM PUBCHEM_BIOASSAY: MITF: Counter assay: A375 proliferation Measured in Cell-Based System Using Plate Reader - 2084-03_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488944] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.